4,6-Dihydroxy-8-methoxy-4-(methoxymethyl)-2-methylbenzo[g][1]benzofuran-5-one
| Internal ID | ee5aa5c1-d29b-4513-a239-8a42605951aa |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 4,6-dihydroxy-8-methoxy-4-(methoxymethyl)-2-methylbenzo[g][1]benzofuran-5-one |
| SMILES (Canonical) | CC1=CC2=C(O1)C3=C(C(=CC(=C3)OC)O)C(=O)C2(COC)O |
| SMILES (Isomeric) | CC1=CC2=C(O1)C3=C(C(=CC(=C3)OC)O)C(=O)C2(COC)O |
| InChI | InChI=1S/C16H16O6/c1-8-4-11-14(22-8)10-5-9(21-3)6-12(17)13(10)15(18)16(11,19)7-20-2/h4-6,17,19H,7H2,1-3H3 |
| InChI Key | SMEUPAUPJNQLGO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16O6 |
| Molecular Weight | 304.29 g/mol |
| Exact Mass | 304.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 89.10 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 4,6-Dihydroxy-8-methoxy-4-(methoxymethyl)-2-methylbenzo[g][1]benzofuran-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/46-dihydroxy-8-methoxy-4-methoxymethyl-2-methylbenzog1benzofuran-5-one.jpg "2D Structure of 4,6-Dihydroxy-8-methoxy-4-(methoxymethyl)-2-methylbenzo[g][1]benzofuran-5-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.37% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.27% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.20% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.04% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.04% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.93% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.81% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.45% | 93.99% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.26% | 96.95% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.76% | 90.24% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.98% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.85% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.61% | 99.17% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.92% | 94.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.27% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.50% | 93.31% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.50% | 97.28% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.02% | 96.21% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 162816052 |
| LOTUS | LTS0122139 |
| wikiData | Q104197427 |